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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/15/1531547.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1531547
loop_
_publ_author_name
'Kokunov, Yu.V.'
'Ershova, M.M.'
'Gorbunova, Yu.E.'
'Detkov, D.G.'
'Mikhailov, Yu.N.'
_publ_section_title
;
 Tin(II) complexes with phosphate and fluoride ligands: synthesis and
 crystal structure of M (Sn F (H P O4)) (M = N H4, Na)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              931
_journal_page_last               935
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum            'F H5 N O4 P Sn'
_chemical_name_systematic        '(N H4) (Sn F (H P O4))'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.673
_cell_length_b                   5.336
_cell_length_c                   15.291
_cell_volume                     544.469
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Kokunov_ZNOKAQ_2002_1772.cif
_cod_data_source_block           H5F1N1O4P1Sn1
_cod_original_cell_volume        544.4686
_cod_original_formula_sum        'H5 F1 N1 O4 P1 Sn1'
_cod_database_code               1531547
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sn1 Sn+2 0.15915 0.25 0.19491 1 0.0
H4 H+1 0.718 0.116 -0.032 1 0.0
H1 H+1 0.553 0.75 0.168 1 0.0
H2 H+1 0.588 0.25 0.036 1 0.0
P1 P+5 0.8835 0.75 0.16313 1 0.0
H3 H+1 0.811 0.25 0.046 1 0.0
O1 O-2 0.6637 0.75 0.1257 1 0.0
F1 F-1 0.3369 0.25 0.0873 1 0.0
O2 O-2 -0.0138 -0.0169 0.1248 1 0.0
N1 N-3 0.7112 0.25 0.0043 1 0.0
O3 O-2 0.876 0.75 0.2623 1 0.0
